[(1S)-2-[(2,5-dimethylphenyl)carbamothioylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)carbamothioylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(2,5-dimethylphenyl)carbamothioylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]-1-(3-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(2,5-dimethylphenyl)carbamothioylamino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2,5-dimethylphenyl)thiocarbamoylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NCC(C2=CC(=CC=C2)OC)[NH+](C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC[C@H](C2=CC(=CC=C2)OC)[NH+](C)C

InChI

InChI=1S/C20H27N3OS/c1-14-9-10-15(2)18(11-14)22-20(25)21-13-19(23(3)4)16-7-6-8-17(12-16)24-5/h6-12,19H,13H2,1-5H3,(H2,21,22,25)/p+1/t19-/m1/s1